- InChI
- InChI=1S/C19H20O6/c1-4-11-24-18(20)13-7-5-8-14(12-13)19(21)25-17-15(22-2)9-6-10-16(17)23-3/h5-10,12H,4,11H2,1-3H3
- InChI Key
- AQHCTGJEARXVSV-UHFFFAOYSA-N
- Formula
- C19H20O6
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2c(OC)c
ccc2OC)c1 - Molecular Weight1
- 344.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -372.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 3.490 | Crippen Calculated Property | |
| McVol | 257.670 | ml/mol | McGowan Calculated Property |
| Pc | 1784.86 | kPa | Joback Calculated Property |
| Inp | 2745.00 | NIST | |
| Tboil | 899.84 | K | Joback Calculated Property |
| Tc | 1125.04 | K | Joback Calculated Property |
| Tfus | 583.07 | K | Joback Calculated Property |
| Vc | 0.968 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [775.52; 827.86] | J/mol×K | [899.84; 1125.04] | 
|
| Cp,gas | 775.52 | J/mol×K | 899.84 | Joback Calculated Property |
| Cp,gas | 787.95 | J/mol×K | 937.37 | Joback Calculated Property |
| Cp,gas | 798.91 | J/mol×K | 974.91 | Joback Calculated Property |
| Cp,gas | 808.40 | J/mol×K | 1012.44 | Joback Calculated Property |
| Cp,gas | 816.40 | J/mol×K | 1049.97 | Joback Calculated Property |
| Cp,gas | 822.89 | J/mol×K | 1087.51 | Joback Calculated Property |
| Cp,gas | 827.86 | J/mol×K | 1125.04 | Joback Calculated Property |
| η | [0.0000377; 0.0002295] | Pa×s | [583.07; 899.84] |
|
| η | 0.0002295 | Pa×s | 583.07 | Joback Calculated Property |
| η | 0.0001498 | Pa×s | 635.87 | Joback Calculated Property |
| η | 0.0001045 | Pa×s | 688.66 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 741.45 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 794.25 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 847.04 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 899.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dimethoxyphenyl propyl ester.
Sources
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